4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-coumarin Formula: C15H13N3O3S MolecularWeight: 315.34702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CC1N2C=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C15H13N3O3S/c19-11-3-4-12-9(5-14(20)21-13(12)6-11)7-22-15-17-16-8-18(15)10-1-2-10/h3-6,8,10,19H,1-2,7H2